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7Q7C
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BU of 7q7c by Molmil
Room temperature structure of the human Serine/Threonine Kinase 17B (STK17B/DRAK2) in complex with ADP at atmospheric pressure
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Serine/threonine-protein kinase 17B
著者Lieske, J, Guenther, S, Saouane, S, Meents, A.
登録日2021-11-09
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Room temperature structure of the human Serine/Threonine Kinase 17B (STK17B/DRAK2) in complex with ADP at atmospheric pressure
To Be Published
6TCZ
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BU of 6tcz by Molmil
Leishmania tarentolae proteasome 20S subunit complexed with LXE408
分子名称: Proteasome endopeptidase complex, Proteasome subunit alpha type, Proteasome subunit beta, ...
著者Srinivas, H.
登録日2019-11-07
公開日2020-08-26
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Discovery and Characterization of Clinical Candidate LXE408 as a Kinetoplastid-Selective Proteasome Inhibitor for the Treatment of Leishmaniases.
J.Med.Chem., 63, 2020
6TD5
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BU of 6td5 by Molmil
Leishmania tarentolae proteasome 20S subunit complexed with LXE408 and bortezomib
分子名称: N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, Proteasome endopeptidase complex, Proteasome subunit alpha type, ...
著者Srinivas, H.
登録日2019-11-07
公開日2020-08-26
最終更新日2020-10-21
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Discovery and Characterization of Clinical Candidate LXE408 as a Kinetoplastid-Selective Proteasome Inhibitor for the Treatment of Leishmaniases.
J.Med.Chem., 63, 2020
3PR2
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BU of 3pr2 by Molmil
Tryptophan synthase indoline quinonoid structure with F9 inhibitor in alpha site
分子名称: (Z)-N-[(1E)-1-carboxy-2-(2,3-dihydro-1H-indol-1-yl)ethylidene]{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methanaminium, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, CESIUM ION, ...
著者Lai, J, Niks, D, Wang, Y, Domratcheva, T, Barends, T.R.M, Schwarz, F, Olsen, R.A, Elliott, D.W, Fatmi, M.Q, Chang, C.A, Schlichting, I, Dunn, M.F, Mueller, L.J.
登録日2010-11-29
公開日2011-02-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献X-ray and NMR Crystallography in an Enzyme Active Site: The Indoline Quinonoid Intermediate in Tryptophan Synthase.
J.Am.Chem.Soc., 133, 2011
2VHD
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BU of 2vhd by Molmil
Crystal Structure Of The Di-Haem Cytochrome C Peroxidase From Pseudomonas aeruginosa - Mixed Valence Form
分子名称: CALCIUM ION, CYTOCHROME C551 PEROXIDASE, HEME C
著者Echalier, A, Brittain, T, Wright, J, Boycheva, S, Mortuza, G.B, Fulop, V, Watmough, N.J.
登録日2007-11-20
公開日2008-02-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Redox-Linked Structural Changes Associated with the Formation of a Catalytically Competent Form of the Diheme Cytochrome C Peroxidase from Pseudomonas Aeruginosa
Biochemistry, 47, 2008
3R0T
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BU of 3r0t by Molmil
Crystal structure of human protein kinase CK2 alpha subunit in complex with the inhibitor CX-5279
分子名称: 1,2-ETHANEDIOL, 3-(cyclopropylamino)-5-{[3-(trifluoromethyl)phenyl]amino}pyrimido[4,5-c]quinoline-8-carboxylic acid, Casein kinase II subunit alpha, ...
著者Battistutta, R, Papinutto, E, Lolli, G, Pierre, F, Haddach, M, Ryckman, D.M.
登録日2011-03-09
公開日2011-12-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Unprecedented selectivity and structural determinants of a new class of protein kinase CK2 inhibitors in clinical trials for the treatment of cancer.
Biochemistry, 50, 2011
3SKB
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BU of 3skb by Molmil
Structural characterization of a GII.4 2004 norovirus variant (TCH05)
分子名称: Capsid
著者Shanker, S, Choi, J.-M, Sankaran, B, Atmar, R.L, Estes, M.K, Prasad, B.V.V.
登録日2011-06-22
公開日2011-07-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.22 Å)
主引用文献Structural Analysis of Histo-Blood Group Antigen Binding Specificity in a Norovirus GII.4 Epidemic Variant: Implications for Epochal Evolution.
J.Virol., 85, 2011
3SJP
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BU of 3sjp by Molmil
Structural characterization of a GII.4 2004 norovirus variant (TCH05)
分子名称: Capsid, ZINC ION
著者Shanker, S, Choi, J.-M, Sankaran, B, Atmar, R.L, Estes, M.K, Prasad, B.V.V.
登録日2011-06-21
公開日2011-07-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.004 Å)
主引用文献Structural Analysis of Histo-Blood Group Antigen Binding Specificity in a Norovirus GII.4 Epidemic Variant: Implications for Epochal Evolution.
J.Virol., 85, 2011
4Q5T
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BU of 4q5t by Molmil
Crystal structure of an atmB (putative membrane lipoprotein) from Streptococcus mutans UA159 at 1.91 A resolution
分子名称: Lipoprotein, NONAETHYLENE GLYCOL, SELENOMETHIONINE
著者Joint Center for Structural Genomics (JCSG)
登録日2014-04-17
公開日2014-06-18
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1.907 Å)
主引用文献Crystal structure of an atmB (putative membrane lipoprotein) from Streptococcus mutans UA159 at 1.91 A resolution
To be published
4P26
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BU of 4p26 by Molmil
Structure of the P domain from a GI.7 Norovirus variant in complex with A-type 2 HBGA
分子名称: P domain of VP1, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Shanker, S, Czako, R, Sankaran, B, Atmar, R, Estes, M, Prasad, B.V.V.
登録日2014-03-01
公開日2014-04-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses.
J.Virol., 88, 2014
4P1V
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BU of 4p1v by Molmil
Structure of the P domain from a GI.7 Norovirus variant in complex with H-type 2 HBGA
分子名称: P domain of VPI, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Shanker, S, Czako, R, Sankaran, B, Atmar, R, Estes, M, Prasad, B.V.V.
登録日2014-02-27
公開日2014-04-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5497 Å)
主引用文献Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses.
J.Virol., 88, 2014
4P2N
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BU of 4p2n by Molmil
Structure of the P domain from a GI.7 Norovirus variant in complex with LeX HBGA
分子名称: Major capsid protein, alpha-L-fucopyranose-(1-3)-[beta-D-galactopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Shanker, S, Czako, R, Sankaran, B, Atmar, R, Estes, M, Prasad, B.V.V.
登録日2014-03-04
公開日2014-04-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses.
J.Virol., 88, 2014
4P3I
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BU of 4p3i by Molmil
Structure of the P domain from a GI.7 Norovirus variant in complex with LeA HBGA.
分子名称: P domain of VP1, beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Shanker, S, Czako, R, Sankaran, B, Atmar, R, Estes, M, Prasad, B.V.V.
登録日2014-03-07
公開日2014-04-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.6941 Å)
主引用文献Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses.
J.Virol., 88, 2014
4P12
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BU of 4p12 by Molmil
Native Structure of the P domain from a GI.7 Norovirus variant.
分子名称: Major capsid protein
著者Shanker, S, Czako, R, Sankaran, B, Atmar, R, Estes, M, Prasad, B.V.V.
登録日2014-02-24
公開日2014-04-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6011 Å)
主引用文献Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses.
J.Virol., 88, 2014
4P25
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BU of 4p25 by Molmil
Structure of the P domain from a GI.7 Norovirus variant in complex with LeY HBGA.
分子名称: Major capsid protein, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Shanker, S, Czako, R, Sankaran, B, Atmar, R, Estes, M, Prasad, B.V.V.
登録日2014-03-01
公開日2014-04-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.4991 Å)
主引用文献Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses.
J.Virol., 88, 2014
7UUR
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BU of 7uur by Molmil
The 1.67 Angstrom CryoEM structure of the [NiFe]-hydrogenase Huc from Mycobacterium smegmatis - catalytic dimer (Huc2S2L)
分子名称: CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, HYDROXIDE ION, ...
著者Grinter, R, Venugopal, H, Kropp, A, Greening, C.
登録日2022-04-28
公開日2023-01-04
最終更新日2023-03-29
実験手法ELECTRON MICROSCOPY (1.67 Å)
主引用文献Structural basis for bacterial energy extraction from atmospheric hydrogen.
Nature, 615, 2023
7UUS
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BU of 7uus by Molmil
The CryoEM structure of the [NiFe]-hydrogenase Huc from Mycobacterium smegmatis - Full complex focused refinement of stalk
分子名称: CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, Hydrogenase-2, ...
著者Grinter, R, Venugopal, H, Kropp, A, Greening, C.
登録日2022-04-28
公開日2023-01-04
最終更新日2023-04-05
実験手法ELECTRON MICROSCOPY (8 Å)
主引用文献Structural basis for bacterial energy extraction from atmospheric hydrogen.
Nature, 615, 2023
7UTD
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BU of 7utd by Molmil
The 2.19-angstrom CryoEM structure of the [NiFe]-hydrogenase Huc from Mycobacterium smegmatis - Complex minus stalk
分子名称: CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, Hydrogenase-2, ...
著者Grinter, R, Venugopal, H, Kropp, A, Greening, C.
登録日2022-04-26
公開日2023-01-04
最終更新日2023-04-05
実験手法ELECTRON MICROSCOPY (2.19 Å)
主引用文献Structural basis for bacterial energy extraction from atmospheric hydrogen.
Nature, 615, 2023
4DZ5
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BU of 4dz5 by Molmil
W227F active site mutant of AKR1C3
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Aldo-keto reductase family 1 member C3, ...
著者Squire, C.J, Yosaatmadja, Y, Flanagan, J.U.
登録日2012-02-29
公開日2013-03-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Validating PR-104A binding to AKR1C3
To be Published
4BTX
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BU of 4btx by Molmil
Crystal structure of human vascular adhesion protein-1 in complex with pyridazinone inhibitors
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-isopropylamino-2-phenyl-6-(1H-1,2,4-triazol-5-yl)-3(2H)-pyridazinone, CALCIUM ION, ...
著者Bligt-Linden, E, Pihlavisto, M, Szatmari, I, Otwinowski, Z, Smith, D.J, Lazar, L, Fulop, F, Salminen, T.A.
登録日2013-06-19
公開日2013-12-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Novel Pyridazinone Inhibitors for Vascular Adhesion Protein- 1 (Vap-1): Old Target - New Inhibition Mode.
J.Med.Chem., 56, 2013
4BTY
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BU of 4bty by Molmil
Crystal structure of human vascular adhesion protein-1 in complex with pyridazinone inhibitors
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[4-(4-methylpiperazin-1-yl)phenylamino]-2-(4-chlorophenyl)-6-(1H-1,2,4-triazol-5-yl)-3(2H)-pyridazinone, ...
著者Bligt-Linden, E, Pihlavisto, M, Szatmari, I, Otwinowski, Z, Smith, D.J, Lazar, L, Fulop, F, Salminen, T.A.
登録日2013-06-19
公開日2013-12-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Novel Pyridazinone Inhibitors for Vascular Adhesion Protein- 1 (Vap-1): Old Target - New Inhibition Mode.
J.Med.Chem., 56, 2013
4BTW
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BU of 4btw by Molmil
Crystal structure of human vascular adhesion protein-1 in complex with pyridazinone inhibitors
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(cyclohexylamino)-2-phenyl-6-(1H-1,2,4-triazol-5-yl)-3(2H)-pyridazinone, ...
著者Bligt-Linden, E, Pihlavisto, M, Szatmari, I, Otwinowski, Z, Smith, D.J, Lazar, L, Fulop, F, Salminen, T.A.
登録日2013-06-19
公開日2013-12-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Novel Pyridazinone Inhibitors for Vascular Adhesion Protein- 1 (Vap-1): Old Target - New Inhibition Mode.
J.Med.Chem., 56, 2013
5E5T
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BU of 5e5t by Molmil
Quasi-racemic snakin-1 in P1 after radiation damage
分子名称: 1,2-ETHANEDIOL, D- snakin-1, FORMIC ACID, ...
著者Yeung, H, Squire, C.J, Yosaatmadja, Y, Panjikar, S, Baker, E.N, Harris, P.W.R, Brimble, M.A.
登録日2015-10-09
公開日2016-05-18
最終更新日2016-07-20
実験手法X-RAY DIFFRACTION (1.572 Å)
主引用文献Radiation Damage and Racemic Protein Crystallography Reveal the Unique Structure of the GASA/Snakin Protein Superfamily.
Angew.Chem.Int.Ed.Engl., 55, 2016
5E5Q
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BU of 5e5q by Molmil
Racemic snakin-1 in P21/c
分子名称: Snakin-1
著者Yeung, H, Squire, C.J, Yosaatmadja, Y, Panjikar, S, Baker, E.N, Harris, P.W.R, Brimble, M.A.
登録日2015-10-09
公開日2016-05-18
最終更新日2016-07-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Radiation Damage and Racemic Protein Crystallography Reveal the Unique Structure of the GASA/Snakin Protein Superfamily.
Angew.Chem.Int.Ed.Engl., 55, 2016
5E5Y
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BU of 5e5y by Molmil
Quasi-racemic snakin-1 in P1 before radiation damage
分子名称: 1,2-ETHANEDIOL, D- snakin-1, FORMIC ACID, ...
著者Yeung, H, Squire, C.J, Yosaatmadja, Y, Panjikar, S, Baker, E.N, Harris, P.W.R, Brimble, M.A.
登録日2015-10-09
公開日2016-05-18
最終更新日2016-07-20
実験手法X-RAY DIFFRACTION (1.506 Å)
主引用文献Radiation Damage and Racemic Protein Crystallography Reveal the Unique Structure of the GASA/Snakin Protein Superfamily.
Angew.Chem.Int.Ed.Engl., 55, 2016

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